Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13909820 | 0.90 | HDAC1 (0.76) | HDAC1HDAC6KDM4EALDH1A1CXCR4 | |
| SCHEMBL4887341 | 0.85 | HDAC1 (0.69) | HDAC1HDAC6KDM4EALDH1A1CXCR4 | |
| SCHEMBL4562865 | 0.85 | HDAC1 (0.69) | HDAC1HDAC6KDM4EALDH1A1CXCR4 | |
| SCHEMBL4065807 | 0.84 | HDAC1 (0.68) | HDAC1HDAC6KDM4EALDH1A1CXCR4 | |
| SCHEMBL21055028 | 0.84 | HDAC1 (0.68) | HDAC1HDAC6KDM4EALDH1A1CXCR4 | |
| SCHEMBL13909591 | 0.84 | HDAC1 (0.57) | HDAC1HDAC6KDM4EKMT2ACXCR4 | |
| SCHEMBL1876784 | 0.84 | HDAC1 (0.48) | HDAC1HDAC6KDM4EALDH1A1KMT2A | |
| SCHEMBL29823351 | 0.84 | HDAC1 (0.48) | HDAC1HDAC6KDM4EALDH1A1KMT2A | |
| Bromide SCHEMBL4541840 | 0.83 | HDAC1 (0.47) | HDAC1HDAC6KDM4EALDH1A1KMT2A | |
| SCHEMBL5575215 | 0.81 | HDAC1 (0.65) | HDAC1HDAC6KDM4EALDH1A1CXCR4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7452994-B2 | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | ANORMED, INC. (CA) | 2008-11-18 | — | — | US | disclosed |
| US-20080234318-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2008-09-25 | — | — | US | disclosed |
| US-20080171740-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2008-07-17 | — | — | US | disclosed |
| US-20070254910-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION | 2007-11-01 | — | — | US | disclosed |
| US-20070232615-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2007-10-04 | — | — | US | disclosed |
| US-20070060757-A1 | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | ANORMED INC. (CA) | 2007-03-15 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080234318-A1 | Chemical Compounds | CCR5, CXCR4, CXCR3 | HDAC1 844/4885HDAC6 568/4885KDM4E 3962/4885 |
| US-20080171740-A1 | Chemical Compounds | CXCR4, CCR5, CXCR3 | HDAC1 1044/4885HDAC6 705/4885KDM4E 4010/4885 |
| US-20070060757-A1 | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | CBR1, POR, CBR3 | HDAC1 2323/4885HDAC6 4303/4885KDM4E 1442/4885 |
| US-20070232615-A1 | Chemical Compounds | CXCR4, CCR5, CXCR3 | HDAC1 815/4885HDAC6 563/4885KDM4E 3940/4885 |
| US-20070254910-A1 | CHEMICAL COMPOUNDS | CXCR4, CCR5, CXCR3 | HDAC1 815/4885HDAC6 563/4885KDM4E 3940/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.